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304477-40-5

304477-40-5 | 1H-Pyrazole-4-carboxaldehyde, 1-methyl-3-phenyl-

CAS No: 304477-40-5 Catalog No: AG003055 MDL No:MFCD04972643

Product Description

Catalog Number:
AG003055
Chemical Name:
1H-Pyrazole-4-carboxaldehyde, 1-methyl-3-phenyl-
CAS Number:
304477-40-5
Molecular Formula:
C11H10N2O
Molecular Weight:
186.2099
MDL Number:
MFCD04972643
IUPAC Name:
1-methyl-3-phenylpyrazole-4-carbaldehyde
InChI:
InChI=1S/C11H10N2O/c1-13-7-10(8-14)11(12-13)9-5-3-2-4-6-9/h2-8H,1H3
InChI Key:
WJSFPCDQTDLOPK-UHFFFAOYSA-N
SMILES:
O=Cc1cn(nc1c1ccccc1)C

Properties

Complexity:
202  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
186.079g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
186.214g/mol
Monoisotopic Mass:
186.079g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
34.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4  

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